{1-[N'-(6-Ethoxy-4,4-bis-trifluoromethyl-4H-[1,3,5]oxadiazin-2-yl)-guanidino]-1-methyl-ethyl}-phosphonic acid diethyl ester | 127955-67-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: {1-[N'-(6-Ethoxy-4,4-bis-trifluoromethyl-4H-[1,3,5]oxadiazin-2-yl)-guanidino]-1-methyl-ethyl}-phosphonic acid diethyl ester
• 英文别名: 2-(2-diethoxyphosphorylpropan-2-yl)-1-[6-ethoxy-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine
• CAS: 127955-67-3
• 化学式: C₁₅H₂₄F₆N₅O₅P
• 分子量: 499.35
• InChiKey: VRKVESLITHHEGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  126.62
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  hexafluoroacetone ethoxycarbonylimine 、 {1-[N'-(6-Ethoxy-4,4-bis-trifluoromethyl-4H-[1,3,5]oxadiazin-2-yl)-guanidino]-1-methyl-ethyl}-phosphonic acid diethyl ester 以 乙醚 为溶剂， 生成 {1-[N'-(6-Ethoxy-4,4-bis-trifluoromethyl-4H-[1,3,5]oxadiazin-2-yl)-N''-(1-ethoxycarbonylamino-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-guanidino]-1-methyl-ethyl}-phosphonic acid diethyl ester
  参考文献：
  名称：

  Alkoxycarbonylimines of hexafluoroacetone in reaction of [2+4]-cycloaddition

  摘要：

  The [2+4]-cycloadditions of alkoxycarbonylimines of hexafluoroacetone to cyclopentadiene and N-nitriles have been studied. Alkoxycarbonylimines of hexafluoroacetone may be considered as both dienophiles and 1,3-heterodienes.

  DOI：

  10.1007/bf01151302
• 作为产物：
  描述：

  hexafluoroacetone ethoxycarbonylimine 、 Phosphonic acid, [1-[[amino(cyanoimino)methyl]amino]-1-methylethyl]-, diethyl ester 以 乙醚 为溶剂， 生成 {1-[N'-(6-Ethoxy-4,4-bis-trifluoromethyl-4H-[1,3,5]oxadiazin-2-yl)-guanidino]-1-methyl-ethyl}-phosphonic acid diethyl ester
  参考文献：
  名称：

  Alkoxycarbonylimines of hexafluoroacetone in reaction of [2+4]-cycloaddition

  摘要：

  The [2+4]-cycloadditions of alkoxycarbonylimines of hexafluoroacetone to cyclopentadiene and N-nitriles have been studied. Alkoxycarbonylimines of hexafluoroacetone may be considered as both dienophiles and 1,3-heterodienes.

  DOI：

  10.1007/bf01151302

文献信息

• Reaction of phosphorus-containing cyanoguanidines with hexafluoroacetone imines
  作者：A. Yu. Aksinenko、V. B. Sokolov、O. V. Korenchenko、A. N. Chekhlov、E. A. Fokin、I. V. Martynov

  DOI：10.1007/bf00962449

  日期：1989.12
• AKSINENKO, A. YU.;SOKOLOV, V. B.;KORENCHENKO, O. V.;CHEXLOV, A. N.;FOKIN,+, IZV. AN CCCP. CEP. XIM.,(1989) N2, S. 2815-2819
  作者：AKSINENKO, A. YU.、SOKOLOV, V. B.、KORENCHENKO, O. V.、CHEXLOV, A. N.、FOKIN,+

  DOI：——

  日期：——